N-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxyacetamide

C18H18ClN5O2 — CID 11588801

IUPACN-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxyacetamide
SMILESCc1cc(C)c(-n2nnnc2OCC(=O)Nc2ccccc2Cl)c(C)c1
InChIInChI=1S/C18H18ClN5O2/c1-11-8-12(2)17(13(3)9-11)24-18(21-22-23-24)26-10-16(25)20-15-7-5-4-6-14(15)19/h4-9H,10H2,1-3H3,(H,20,25)
InChIKeyQKOFLKDOJJZMFP-UHFFFAOYSA-N
MW371.83 g/mol
LogP3.26
Rot. Bonds5

About N-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxyacetamide

N-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxyacetamide (PubChem CID 11588801) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxyacetamide
PubChem CID11588801
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC NameN-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxyacetamide
SMILESCc1cc(C)c(-n2nnnc2OCC(=O)Nc2ccccc2Cl)c(C)c1
InChIInChI=1S/C18H18ClN5O2/c1-11-8-12(2)17(13(3)9-11)24-18(21-22-23-24)26-10-16(25)20-15-7-5-4-6-14(15)19/h4-9H,10H2,1-3H3,(H,20,25)
InChIKeyQKOFLKDOJJZMFP-UHFFFAOYSA-N
XLogP3.26
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxyacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxyacetamide (CID 11588801) is N-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxyacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxyacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxyacetamide is Cc1cc(C)c(-n2nnnc2OCC(=O)Nc2ccccc2Cl)c(C)c1.
What is the InChIKey of N-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxyacetamide?
The InChIKey is QKOFLKDOJJZMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-11-8-12(2)17(13(3)9-11)24-18(21-22-23-24)26-10-16(25)20-15-7-5-4-6-14(15)19/h4-9H,10H2,1-3H3,(H,20,25).
What are the key properties of N-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxyacetamide?
N-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxyacetamide has a molecular weight of 371.83 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxyacetamide is sourced from PubChem (CID 11588801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).